Dy3Ho2ZrP6
Alexandria ALEXAlex-ID: agm036764458 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Dy3HoP4 DyHo3P4 ZrP
2024-11-13 11:07:30.969418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036764458).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm036764458
data_agm036764458
_cell_length_a 6.83706
_cell_length_b 6.83706
_cell_length_c 6.83550
_cell_angle_alpha 80.37253
_cell_angle_beta 80.37253
_cell_angle_gamma 119.95076
_cell_volume 260.93445
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.83146 0.16854 0.50000 1.00000
Dy2 Dy 0.16854 0.83146 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.66606 0.33394 0.00000 1.00000
Ho2 Ho 0.33394 0.66606 0.00000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
P1 P 0.59409 0.91918 0.24303 1.00000
P2 P 0.75701 0.75701 0.75564 1.00000
P3 P 0.40591 0.08082 0.75697 1.00000
P4 P 0.91918 0.59409 0.24303 1.00000
P5 P 0.24299 0.24299 0.24436 1.00000
P6 P 0.08082 0.40591 0.75697 1.00000
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